Geometry & MOs

Info

ID:

232757

PubChem CID:

87576899

Reduced:

PSiN5O7C27H40 (1)

Stoich.:

ABC5D7E27F40 (1)

Weight, g/mol:

547.072198

ΔHf, kcal/mol:

-335.83

Dipole, Da:

5.86

IP(EA), eV:

 -8.8(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[5-fluoro-2-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methanesulfonamide

Drug info:

PubChemData

Smile

CCOP(=O)(CC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)O[Si](C)(C)C(C)(C)C)OC)O

DOS

IR

Vibrations